1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene

C24H36 — CID 91346365

IUPAC1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene
SMILESCCCc1c(C2CC(C)C2)cc(C2CC(C)C2)cc1C1CC(C)C1
InChIInChI=1S/C24H36/c1-5-6-22-23(20-9-16(3)10-20)13-19(18-7-15(2)8-18)14-24(22)21-11-17(4)12-21/h13-18,20-21H,5-12H2,1-4H3
InChIKeyLCMDAYZTSJXYRZ-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.18
Rot. Bonds5

About 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene

1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene (PubChem CID 91346365) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene.

Molecular Properties

Compound Name1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene
PubChem CID91346365
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene
SMILESCCCc1c(C2CC(C)C2)cc(C2CC(C)C2)cc1C1CC(C)C1
InChIInChI=1S/C24H36/c1-5-6-22-23(20-9-16(3)10-20)13-19(18-7-15(2)8-18)14-24(22)21-11-17(4)12-21/h13-18,20-21H,5-12H2,1-4H3
InChIKeyLCMDAYZTSJXYRZ-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1,3,5-tris(4-methylcyclohexyl)benzene
CID 91362545
1-chloro-4-(3,5-dimethylcyclohexyl)-2-[(4-propylphenyl)methyl]benzene
CID 146415253
1,2,4-trimethyl-5-(3-methylcyclobutyl)benzene
CID 123762881
3-(oxan-4-yl)-2-propylaniline
CID 156732824
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
(3-methylcyclopentyl)benzene;propane
CID 142973096
4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
CID 63405027
4-[(3S,5R)-3,5-dimethylcyclohexyl]aniline
CID 125449153
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
1,3-dimethyl-5-propylcyclohexane
CID 13144142
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene?
The IUPAC name of 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene (CID 91346365) is 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene.
What is the SMILES notation for 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene?
The canonical SMILES for 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene is CCCc1c(C2CC(C)C2)cc(C2CC(C)C2)cc1C1CC(C)C1.
What is the InChIKey of 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene?
The InChIKey is LCMDAYZTSJXYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36/c1-5-6-22-23(20-9-16(3)10-20)13-19(18-7-15(2)8-18)14-24(22)21-11-17(4)12-21/h13-18,20-21H,5-12H2,1-4H3.
What are the key properties of 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene?
1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene has a molecular weight of 324.55 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3-methylcyclobutyl)-2-propylbenzene is sourced from PubChem (CID 91346365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).